BDBM50183398 1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-2-(4-(furan-2-ylmethyl)-5-hydroxy-4H-1,2,4-triazol-3-ylthio)ethanone::CHEMBL204850

SMILES: O=C(CSc1n[nH]c(=O)n1Cc1ccco1)c1ccc2OCCOc2c1

InChI Key: InChIKey=LLRSZRHGSLZKLH-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50183398   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Falcipain-2 (Plasmodium falciparum)	BDBM50183398 (1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-2-(4-(fura...) Show SMILES O=C(CSc1n[nH]c(=O)n1Cc1ccco1)c1ccc2OCCOc2c1 Show InChI InChI=1S/C17H15N3O5S/c21-13(11-3-4-14-15(8-11)25-7-6-24-14)10-26-17-19-18-16(22)20(17)9-12-2-1-5-23-12/h1-5,8H,6-7,9-10H2,(H,18,22)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.23E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Mississippi Curated by ChEMBL					Assay Description Inhibition of falcipain2				J Med Chem 49: 1576-84 (2006) Article DOI: 10.1021/jm0505765 BindingDB Entry DOI: 10.7270/Q2B27W35
					More data for this Ligand-Target Pair
Cysteine protease falcipain-3 (Plasmodium falciparum)	BDBM50183398 (1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-2-(4-(fura...) Show SMILES O=C(CSc1n[nH]c(=O)n1Cc1ccco1)c1ccc2OCCOc2c1 Show InChI InChI=1S/C17H15N3O5S/c21-13(11-3-4-14-15(8-11)25-7-6-24-14)10-26-17-19-18-16(22)20(17)9-12-2-1-5-23-12/h1-5,8H,6-7,9-10H2,(H,18,22)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Mississippi Curated by ChEMBL					Assay Description Inhibition of falcipain3				J Med Chem 49: 1576-84 (2006) Article DOI: 10.1021/jm0505765 BindingDB Entry DOI: 10.7270/Q2B27W35
					More data for this Ligand-Target Pair